3-(methoxymethyl)-1-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3-thiazol-2-yl]pyrazole-5-carboxamide

C14H18N4O3S — CID 174157786

IUPAC3-(methoxymethyl)-1-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3-thiazol-2-yl]pyrazole-5-carboxamide
SMILESCOCc1cc(C(=O)Nc2ncc([C@@H]3CCCO3)s2)n(C)n1
InChIInChI=1S/C14H18N4O3S/c1-18-10(6-9(17-18)8-20-2)13(19)16-14-15-7-12(22-14)11-4-3-5-21-11/h6-7,11H,3-5,8H2,1-2H3,(H,15,16,19)/t11-/m0/s1
InChIKeyKCXKSLJBWAWOBC-NSHDSACASA-N
MW322.39 g/mol
LogP2.13
Rot. Bonds5

About 3-(methoxymethyl)-1-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3-thiazol-2-yl]pyrazole-5-carboxamide

3-(methoxymethyl)-1-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3-thiazol-2-yl]pyrazole-5-carboxamide (PubChem CID 174157786) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3-thiazol-2-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-1-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3-thiazol-2-yl]pyrazole-5-carboxamide
PubChem CID174157786
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name3-(methoxymethyl)-1-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3-thiazol-2-yl]pyrazole-5-carboxamide
SMILESCOCc1cc(C(=O)Nc2ncc([C@@H]3CCCO3)s2)n(C)n1
InChIInChI=1S/C14H18N4O3S/c1-18-10(6-9(17-18)8-20-2)13(19)16-14-15-7-12(22-14)11-4-3-5-21-11/h6-7,11H,3-5,8H2,1-2H3,(H,15,16,19)/t11-/m0/s1
InChIKeyKCXKSLJBWAWOBC-NSHDSACASA-N
XLogP2.13
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
The IUPAC name of 3-(methoxymethyl)-1-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3-thiazol-2-yl]pyrazole-5-carboxamide (CID 174157786) is 3-(methoxymethyl)-1-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3-thiazol-2-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-1-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-1-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3-thiazol-2-yl]pyrazole-5-carboxamide is COCc1cc(C(=O)Nc2ncc([C@@H]3CCCO3)s2)n(C)n1.
What is the InChIKey of 3-(methoxymethyl)-1-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
The InChIKey is KCXKSLJBWAWOBC-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-18-10(6-9(17-18)8-20-2)13(19)16-14-15-7-12(22-14)11-4-3-5-21-11/h6-7,11H,3-5,8H2,1-2H3,(H,15,16,19)/t11-/m0/s1.
What are the key properties of 3-(methoxymethyl)-1-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
3-(methoxymethyl)-1-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3-thiazol-2-yl]pyrazole-5-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3-thiazol-2-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 174157786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).